(2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

C28H26ClN3O2S — CID 126046269

IUPAC(2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCc1nc2s/c(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4c(C)cccc34)c(=O)n2c(=O)c1C(C)C
InChIInChI=1S/C28H26ClN3O2S/c1-15(2)24-17(4)30-28-32(27(24)34)26(33)23(35-28)13-22-18(5)31(14-19-9-11-20(29)12-10-19)25-16(3)7-6-8-21(22)25/h6-13,15H,14H2,1-5H3/b23-13-
InChIKeyWXULLTWVKOIHJI-QRVIBDJDSA-N
MW504.06 g/mol
LogP5.37
Rot. Bonds4

About (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

(2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (PubChem CID 126046269) has the molecular formula C28H26ClN3O2S and a molecular weight of 504.06 g/mol. Its IUPAC name is (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.

Molecular Properties

Compound Name(2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
PubChem CID126046269
Molecular FormulaC28H26ClN3O2S
Molecular Weight504.06 g/mol
Exact Mass503.14
IUPAC Name(2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCc1nc2s/c(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4c(C)cccc34)c(=O)n2c(=O)c1C(C)C
InChIInChI=1S/C28H26ClN3O2S/c1-15(2)24-17(4)30-28-32(27(24)34)26(33)23(35-28)13-22-18(5)31(14-19-9-11-20(29)12-10-19)25-16(3)7-6-8-21(22)25/h6-13,15H,14H2,1-5H3/b23-13-
InChIKeyWXULLTWVKOIHJI-QRVIBDJDSA-N
XLogP5.37
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.06
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione with MolForge

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Related Compounds

(2Z)-2-[(2,7-dimethyl-1-prop-2-enylindol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126039734
(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126048467
(2Z)-2-[(2,7-dimethyl-1H-indol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126043182
(2Z)-2-[(2,5-dimethyl-1-prop-2-ynylindol-3-yl)methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126041092
ethyl (2Z,5R)-2-[(1-benzyl-2,7-dimethylindol-3-yl)methylidene]-7-methyl-3-oxo-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 126044225
(2Z)-2-[[1-[(3,4-dichlorophenyl)methyl]-2,5-dimethylindol-3-yl]methylidene]-6-ethyl-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126038966
(4E)-4-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)pyrazol-3-one
CID 126043508
(2Z)-6-ethyl-2-[(1-ethyl-2,5-dimethylindol-3-yl)methylidene]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126037067
propan-2-yl 2-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4236733
propan-2-yl 5-(4-chlorophenyl)-2-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 3960577
(2Z)-6-ethyl-7-methyl-2-[(1,2,5-trimethylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
CID 126049072
(5E)-5-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126196210

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The IUPAC name of (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (CID 126046269) is (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.
What is the SMILES notation for (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The canonical SMILES for (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is Cc1nc2s/c(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4c(C)cccc34)c(=O)n2c(=O)c1C(C)C.
What is the InChIKey of (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The InChIKey is WXULLTWVKOIHJI-QRVIBDJDSA-N. The full InChI is InChI=1S/C28H26ClN3O2S/c1-15(2)24-17(4)30-28-32(27(24)34)26(33)23(35-28)13-22-18(5)31(14-19-9-11-20(29)12-10-19)25-16(3)7-6-8-21(22)25/h6-13,15H,14H2,1-5H3/b23-13-.
What are the key properties of (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
(2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione has a molecular weight of 504.06 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[1-[(4-chlorophenyl)methyl]-2,7-dimethylindol-3-yl]methylidene]-7-methyl-6-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is sourced from PubChem (CID 126046269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).